RefMet Compound Details

RefMet IDRM0134955
MW structure29 (View MW Metabolite Database details)
RefMet nameHeptylic acid   Species distribution   Sample source distribution
Alternative nameFA 7:0
Systematic nameheptanoic acid
SMILESCCCCCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 7:0 View other entries in RefMet with this sum composition
Exact mass130.099380 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC7H14O2View other entries in RefMet with this formula
InChIInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKeyMNWFXJYAOYHMED-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassSaturated FA
Pubchem CID8094
ChEBI ID45571
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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